{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.181626 ] [ 0 0 0.818374 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.681626 ] [ 0.5 0.5 0.318374 ] [ 0.5 0.5 0.899541 ] [ 0.5 0.5 0.100459 ] [ 0 0 0.399541 ] [ 0 0 0.600459 ] [ 0 0.5 0.90301 ] [ 0.5 0 0.90301 ] [ 0 0.5 0.09699 ] [ 0.5 0 0.09699 ] [ 0.5 0.5 0.196715 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.803285 ] [ 0.5 0 0.40301 ] [ 0 0.5 0.40301 ] [ 0.5 0 0.59699 ] [ 0 0.5 0.59699 ] [ 0 0 0.696715 ] [ 0 0 0.5 ] [ 0 0 0.303285 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Mn" "Mn" "Mn" "Mn" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.06906540544 "source-unit" "angstrom" } "c" { "source-value" 25.6960260261 "source-unit" "angstrom" } }